1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one

C12H18N4OS — CID 134789042

IUPAC1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C12H18N4OS/c17-12-14-3-6-16(12)10-1-4-15(5-2-10)8-11-7-13-9-18-11/h7,9-10H,1-6,8H2,(H,14,17)
InChIKeyZKRMQPYBYBXGPP-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.13
Rot. Bonds3

About 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 134789042) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID134789042
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C12H18N4OS/c17-12-14-3-6-16(12)10-1-4-15(5-2-10)8-11-7-13-9-18-11/h7,9-10H,1-6,8H2,(H,14,17)
InChIKeyZKRMQPYBYBXGPP-UHFFFAOYSA-N
XLogP1.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one (CID 134789042) is 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2cncs2)CC1.
What is the InChIKey of 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ZKRMQPYBYBXGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-12-14-3-6-16(12)10-1-4-15(5-2-10)8-11-7-13-9-18-11/h7,9-10H,1-6,8H2,(H,14,17).
What are the key properties of 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 134789042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).